USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 CYS SG : rot 173:sc= 0.31 USER MOD Set 1.2: A 115 CYS SG : rot 129:sc= 0.862 USER MOD Set 1.3: A 125 CYS SG : rot -159:sc= 1.4 USER MOD Set 1.4: A 128 CYS SG : rot 139:sc= -1.01 USER MOD Set 2.1: A 101 THR OG1 : rot 75:sc= 0.268 USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 74 CYS SG : rot 154:sc= -1.06 USER MOD Set 3.2: A 77 CYS SG : rot -59:sc= 0.463 USER MOD Set 3.3: A 91 CYS SG : rot -130:sc= 1.09 USER MOD Set 3.4: A 94 CYS SG : rot 150:sc= -0.66 USER MOD Set 4.1: A 86 TYR OH : rot 0:sc= -0.494 USER MOD Set 4.2: A 95 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0363) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -140:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.19) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 104 MET CE :methyl 160:sc= -0.0428 (180deg=-0.373) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.547) USER MOD Single : A 114 SER OG : rot 71:sc= 0.0807 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc=-0.00958 K(o=-0.0096,f=-0.62) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0737) USER MOD Single : A 121 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.26) USER MOD Single : A 123 ASN : amide:sc= -0.629 K(o=-0.63,f=-0.021) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc=-0.00244 X(o=-0.0024,f=0.41) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.013) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot -102:sc= 0.0224 USER MOD Single : A 138 MET CE :methyl -146:sc= -0.371 (180deg=-3.46!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= 0.354 K(o=0.35,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.484 10.484 -7.462 1.00 0.00 N ATOM 84 CA GLU A 73 6.649 9.093 -7.869 1.00 0.00 C ATOM 85 C GLU A 73 5.753 8.175 -7.043 1.00 0.00 C ATOM 86 O GLU A 73 5.552 8.394 -5.848 1.00 0.00 O ATOM 87 CB GLU A 73 8.111 8.666 -7.721 1.00 0.00 C ATOM 88 CG GLU A 73 8.520 8.386 -6.284 1.00 0.00 C ATOM 89 CD GLU A 73 10.015 8.522 -6.067 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.781 8.226 -7.008 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.418 8.925 -4.956 1.00 0.00 O ATOM 0 HA GLU A 73 6.358 9.010 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.282 7.771 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.752 9.448 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.996 9.074 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.207 7.378 -6.011 1.00 0.00 H new ATOM 98 N CYS A 74 5.216 7.145 -7.689 1.00 0.00 N ATOM 99 CA CYS A 74 4.340 6.193 -7.016 1.00 0.00 C ATOM 100 C CYS A 74 5.017 5.610 -5.779 1.00 0.00 C ATOM 101 O CYS A 74 6.148 5.127 -5.847 1.00 0.00 O ATOM 102 CB CYS A 74 3.947 5.066 -7.974 1.00 0.00 C ATOM 103 SG CYS A 74 2.740 3.889 -7.282 1.00 0.00 S ATOM 0 H CYS A 74 5.372 6.948 -8.678 1.00 0.00 H new ATOM 0 HA CYS A 74 3.442 6.724 -6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.532 5.504 -8.882 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.845 4.521 -8.264 1.00 0.00 H new ATOM 0 HG CYS A 74 2.069 3.337 -8.249 1.00 0.00 H new ATOM 108 N ARG A 75 4.318 5.660 -4.650 1.00 0.00 N ATOM 109 CA ARG A 75 4.852 5.139 -3.397 1.00 0.00 C ATOM 110 C ARG A 75 4.554 3.648 -3.258 1.00 0.00 C ATOM 111 O ARG A 75 4.509 3.115 -2.150 1.00 0.00 O ATOM 112 CB ARG A 75 4.260 5.901 -2.210 1.00 0.00 C ATOM 113 CG ARG A 75 4.452 7.406 -2.295 1.00 0.00 C ATOM 114 CD ARG A 75 5.842 7.817 -1.834 1.00 0.00 C ATOM 115 NE ARG A 75 5.910 9.237 -1.500 1.00 0.00 N ATOM 116 CZ ARG A 75 7.039 9.937 -1.492 1.00 0.00 C ATOM 117 NH1 ARG A 75 8.188 9.351 -1.798 1.00 0.00 N ATOM 118 NH2 ARG A 75 7.020 11.226 -1.178 1.00 0.00 N ATOM 0 H ARG A 75 3.381 6.056 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 75 5.933 5.277 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.194 5.682 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.718 5.536 -1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.295 7.736 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.702 7.905 -1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.125 7.226 -0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.565 7.594 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 75 5.043 9.718 -1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.207 8.360 -2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.053 9.891 -1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.138 11.681 -0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.888 11.762 -1.172 1.00 0.00 H new ATOM 132 N VAL A 76 4.352 2.982 -4.391 1.00 0.00 N ATOM 133 CA VAL A 76 4.060 1.554 -4.396 1.00 0.00 C ATOM 134 C VAL A 76 5.042 0.795 -5.282 1.00 0.00 C ATOM 135 O VAL A 76 5.587 -0.235 -4.883 1.00 0.00 O ATOM 136 CB VAL A 76 2.626 1.276 -4.882 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.368 -0.221 -4.958 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.614 1.954 -3.971 1.00 0.00 C ATOM 0 H VAL A 76 4.385 3.409 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 76 4.160 1.207 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 76 2.514 1.691 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.349 -0.398 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.072 -0.677 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.498 -0.663 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.606 1.747 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.724 1.571 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.786 3.030 -3.973 1.00 0.00 H new ATOM 148 N CYS A 77 5.264 1.311 -6.486 1.00 0.00 N ATOM 149 CA CYS A 77 6.180 0.683 -7.430 1.00 0.00 C ATOM 150 C CYS A 77 7.433 1.533 -7.620 1.00 0.00 C ATOM 151 O CYS A 77 8.553 1.029 -7.560 1.00 0.00 O ATOM 152 CB CYS A 77 5.488 0.468 -8.778 1.00 0.00 C ATOM 153 SG CYS A 77 4.885 2.000 -9.557 1.00 0.00 S ATOM 0 H CYS A 77 4.822 2.163 -6.831 1.00 0.00 H new ATOM 0 HA CYS A 77 6.476 -0.283 -7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.185 -0.023 -9.458 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.647 -0.211 -8.638 1.00 0.00 H new ATOM 0 HG CYS A 77 4.043 2.589 -8.761 1.00 0.00 H new ATOM 158 N GLY A 78 7.234 2.828 -7.848 1.00 0.00 N ATOM 159 CA GLY A 78 8.356 3.728 -8.043 1.00 0.00 C ATOM 160 C GLY A 78 8.177 4.625 -9.252 1.00 0.00 C ATOM 161 O GLY A 78 8.605 5.779 -9.245 1.00 0.00 O ATOM 0 H GLY A 78 6.316 3.270 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.482 4.344 -7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.270 3.145 -8.159 1.00 0.00 H new ATOM 165 N ASP A 79 7.545 4.093 -10.292 1.00 0.00 N ATOM 166 CA ASP A 79 7.311 4.853 -11.514 1.00 0.00 C ATOM 167 C ASP A 79 6.716 6.222 -11.198 1.00 0.00 C ATOM 168 O ASP A 79 6.437 6.537 -10.041 1.00 0.00 O ATOM 169 CB ASP A 79 6.379 4.082 -12.450 1.00 0.00 C ATOM 170 CG ASP A 79 6.392 4.631 -13.863 1.00 0.00 C ATOM 171 OD1 ASP A 79 7.472 4.627 -14.490 1.00 0.00 O ATOM 172 OD2 ASP A 79 5.323 5.065 -14.341 1.00 0.00 O ATOM 0 H ASP A 79 7.186 3.139 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 79 8.271 5.000 -12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.674 3.033 -12.468 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.363 4.120 -12.058 1.00 0.00 H new ATOM 177 N LYS A 80 6.525 7.032 -12.234 1.00 0.00 N ATOM 178 CA LYS A 80 5.963 8.367 -12.068 1.00 0.00 C ATOM 179 C LYS A 80 4.470 8.295 -11.767 1.00 0.00 C ATOM 180 O LYS A 80 3.689 7.786 -12.571 1.00 0.00 O ATOM 181 CB LYS A 80 6.201 9.203 -13.327 1.00 0.00 C ATOM 182 CG LYS A 80 5.382 10.481 -13.373 1.00 0.00 C ATOM 183 CD LYS A 80 6.089 11.622 -12.661 1.00 0.00 C ATOM 184 CE LYS A 80 5.297 12.917 -12.758 1.00 0.00 C ATOM 185 NZ LYS A 80 5.528 13.613 -14.054 1.00 0.00 N ATOM 0 H LYS A 80 6.751 6.787 -13.198 1.00 0.00 H new ATOM 0 HA LYS A 80 6.463 8.842 -11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.259 9.457 -13.389 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.966 8.599 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.196 10.758 -14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.410 10.308 -12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.236 11.362 -11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.078 11.766 -13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.234 12.702 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.577 13.576 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.971 14.491 -14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.538 13.841 -14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.237 12.994 -14.837 1.00 0.00 H new ATOM 199 N ALA A 81 4.079 8.809 -10.606 1.00 0.00 N ATOM 200 CA ALA A 81 2.678 8.806 -10.201 1.00 0.00 C ATOM 201 C ALA A 81 1.803 9.487 -11.248 1.00 0.00 C ATOM 202 O ALA A 81 2.302 10.198 -12.121 1.00 0.00 O ATOM 203 CB ALA A 81 2.517 9.489 -8.851 1.00 0.00 C ATOM 0 H ALA A 81 4.713 9.233 -9.929 1.00 0.00 H new ATOM 0 HA ALA A 81 2.353 7.769 -10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.466 9.479 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.105 8.958 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.865 10.520 -8.921 1.00 0.00 H new ATOM 209 N SER A 82 0.496 9.265 -11.155 1.00 0.00 N ATOM 210 CA SER A 82 -0.448 9.853 -12.098 1.00 0.00 C ATOM 211 C SER A 82 -1.454 10.743 -11.374 1.00 0.00 C ATOM 212 O SER A 82 -1.723 11.867 -11.798 1.00 0.00 O ATOM 213 CB SER A 82 -1.184 8.755 -12.869 1.00 0.00 C ATOM 214 OG SER A 82 -2.206 9.302 -13.684 1.00 0.00 O ATOM 0 H SER A 82 0.067 8.682 -10.436 1.00 0.00 H new ATOM 0 HA SER A 82 0.114 10.466 -12.802 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.476 8.204 -13.488 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.617 8.041 -12.168 1.00 0.00 H new ATOM 0 HG SER A 82 -2.996 8.723 -13.651 1.00 0.00 H new ATOM 220 N GLY A 83 -2.007 10.232 -10.279 1.00 0.00 N ATOM 221 CA GLY A 83 -2.977 10.992 -9.513 1.00 0.00 C ATOM 222 C GLY A 83 -2.962 10.636 -8.040 1.00 0.00 C ATOM 223 O GLY A 83 -2.670 9.497 -7.672 1.00 0.00 O ATOM 0 H GLY A 83 -1.800 9.304 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.772 12.056 -9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.974 10.814 -9.916 1.00 0.00 H new ATOM 227 N PHE A 84 -3.275 11.611 -7.193 1.00 0.00 N ATOM 228 CA PHE A 84 -3.293 11.395 -5.751 1.00 0.00 C ATOM 229 C PHE A 84 -4.547 10.634 -5.331 1.00 0.00 C ATOM 230 O PHE A 84 -5.567 11.235 -4.991 1.00 0.00 O ATOM 231 CB PHE A 84 -3.223 12.733 -5.012 1.00 0.00 C ATOM 232 CG PHE A 84 -2.799 12.604 -3.578 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.586 12.020 -3.250 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.613 13.067 -2.556 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.193 11.900 -1.930 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.225 12.950 -1.235 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.013 12.367 -0.921 1.00 0.00 C ATOM 0 H PHE A 84 -3.520 12.559 -7.480 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.421 10.797 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.525 13.390 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.201 13.212 -5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.940 11.654 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.562 13.525 -2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.246 11.442 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.869 13.314 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.707 12.276 0.111 1.00 0.00 H new ATOM 247 N HIS A 85 -4.464 9.307 -5.357 1.00 0.00 N ATOM 248 CA HIS A 85 -5.592 8.463 -4.979 1.00 0.00 C ATOM 249 C HIS A 85 -5.350 7.809 -3.622 1.00 0.00 C ATOM 250 O HIS A 85 -4.206 7.604 -3.216 1.00 0.00 O ATOM 251 CB HIS A 85 -5.830 7.389 -6.041 1.00 0.00 C ATOM 252 CG HIS A 85 -5.882 7.928 -7.437 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.991 8.558 -7.960 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.952 7.929 -8.420 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.742 8.923 -9.205 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.511 8.553 -9.509 1.00 0.00 N ATOM 0 H HIS A 85 -3.628 8.794 -5.636 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.478 9.094 -4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.036 6.645 -5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.767 6.876 -5.823 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.956 7.516 -8.360 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.428 9.436 -9.862 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.050 8.706 -10.406 1.00 0.00 H new ATOM 264 N TYR A 86 -6.433 7.484 -2.926 1.00 0.00 N ATOM 265 CA TYR A 86 -6.339 6.856 -1.613 1.00 0.00 C ATOM 266 C TYR A 86 -5.416 7.651 -0.695 1.00 0.00 C ATOM 267 O TYR A 86 -4.741 7.086 0.166 1.00 0.00 O ATOM 268 CB TYR A 86 -5.830 5.420 -1.747 1.00 0.00 C ATOM 269 CG TYR A 86 -6.532 4.627 -2.826 1.00 0.00 C ATOM 270 CD1 TYR A 86 -7.692 3.913 -2.548 1.00 0.00 C ATOM 271 CD2 TYR A 86 -6.036 4.589 -4.123 1.00 0.00 C ATOM 272 CE1 TYR A 86 -8.337 3.187 -3.530 1.00 0.00 C ATOM 273 CE2 TYR A 86 -6.675 3.867 -5.112 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.825 3.167 -4.810 1.00 0.00 C ATOM 275 OH TYR A 86 -8.464 2.445 -5.792 1.00 0.00 O ATOM 0 H TYR A 86 -7.387 7.645 -3.249 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.336 6.841 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.761 5.441 -1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.955 4.909 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.096 3.926 -1.546 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.135 5.134 -4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -9.237 2.638 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.277 3.850 -6.116 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.257 2.010 -5.415 1.00 0.00 H new ATOM 285 N GLY A 87 -5.393 8.967 -0.884 1.00 0.00 N ATOM 286 CA GLY A 87 -4.551 9.819 -0.065 1.00 0.00 C ATOM 287 C GLY A 87 -3.086 9.435 -0.144 1.00 0.00 C ATOM 288 O GLY A 87 -2.300 9.772 0.741 1.00 0.00 O ATOM 0 H GLY A 87 -5.942 9.458 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.670 10.855 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.883 9.764 0.972 1.00 0.00 H new ATOM 292 N VAL A 88 -2.718 8.727 -1.207 1.00 0.00 N ATOM 293 CA VAL A 88 -1.338 8.296 -1.398 1.00 0.00 C ATOM 294 C VAL A 88 -0.904 8.470 -2.849 1.00 0.00 C ATOM 295 O VAL A 88 -1.643 8.131 -3.774 1.00 0.00 O ATOM 296 CB VAL A 88 -1.149 6.823 -0.990 1.00 0.00 C ATOM 297 CG1 VAL A 88 -2.126 5.931 -1.740 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.286 6.382 -1.238 1.00 0.00 C ATOM 0 H VAL A 88 -3.356 8.440 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.718 8.925 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.355 6.730 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.977 4.894 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.147 6.234 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.955 6.025 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.402 5.339 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.522 6.489 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.964 7.002 -0.651 1.00 0.00 H new ATOM 308 N HIS A 89 0.299 9.000 -3.041 1.00 0.00 N ATOM 309 CA HIS A 89 0.833 9.218 -4.381 1.00 0.00 C ATOM 310 C HIS A 89 1.065 7.891 -5.097 1.00 0.00 C ATOM 311 O HIS A 89 2.128 7.284 -4.971 1.00 0.00 O ATOM 312 CB HIS A 89 2.141 10.007 -4.309 1.00 0.00 C ATOM 313 CG HIS A 89 1.944 11.490 -4.245 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.936 12.198 -3.062 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.747 12.400 -5.228 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.742 13.480 -3.320 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.624 13.629 -4.627 1.00 0.00 N ATOM 0 H HIS A 89 0.923 9.287 -2.286 1.00 0.00 H new ATOM 0 HA HIS A 89 0.101 9.793 -4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.702 9.685 -3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.749 9.767 -5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.696 12.197 -6.288 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.689 14.271 -2.587 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.467 14.513 -5.111 1.00 0.00 H new ATOM 325 N ALA A 90 0.062 7.446 -5.847 1.00 0.00 N ATOM 326 CA ALA A 90 0.157 6.191 -6.583 1.00 0.00 C ATOM 327 C ALA A 90 0.016 6.424 -8.083 1.00 0.00 C ATOM 328 O ALA A 90 -0.374 7.507 -8.521 1.00 0.00 O ATOM 329 CB ALA A 90 -0.902 5.213 -6.097 1.00 0.00 C ATOM 0 H ALA A 90 -0.825 7.936 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 90 1.142 5.763 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.819 4.280 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.754 5.015 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.892 5.642 -6.252 1.00 0.00 H new ATOM 335 N CYS A 91 0.336 5.400 -8.868 1.00 0.00 N ATOM 336 CA CYS A 91 0.247 5.493 -10.320 1.00 0.00 C ATOM 337 C CYS A 91 -1.014 4.803 -10.833 1.00 0.00 C ATOM 338 O CYS A 91 -1.791 4.251 -10.054 1.00 0.00 O ATOM 339 CB CYS A 91 1.483 4.867 -10.969 1.00 0.00 C ATOM 340 SG CYS A 91 1.569 3.054 -10.810 1.00 0.00 S ATOM 0 H CYS A 91 0.659 4.496 -8.522 1.00 0.00 H new ATOM 0 HA CYS A 91 0.198 6.548 -10.589 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.497 5.129 -12.027 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.376 5.303 -10.521 1.00 0.00 H new ATOM 0 HG CYS A 91 2.744 2.712 -10.370 1.00 0.00 H new ATOM 345 N GLU A 92 -1.209 4.839 -12.147 1.00 0.00 N ATOM 346 CA GLU A 92 -2.376 4.218 -12.763 1.00 0.00 C ATOM 347 C GLU A 92 -2.359 2.706 -12.560 1.00 0.00 C ATOM 348 O GLU A 92 -3.348 2.115 -12.128 1.00 0.00 O ATOM 349 CB GLU A 92 -2.425 4.542 -14.258 1.00 0.00 C ATOM 350 CG GLU A 92 -2.833 5.975 -14.557 1.00 0.00 C ATOM 351 CD GLU A 92 -2.719 6.319 -16.029 1.00 0.00 C ATOM 352 OE1 GLU A 92 -1.685 5.978 -16.640 1.00 0.00 O ATOM 353 OE2 GLU A 92 -3.666 6.928 -16.570 1.00 0.00 O ATOM 0 H GLU A 92 -0.575 5.291 -12.805 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.267 4.622 -12.281 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.444 4.354 -14.694 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.126 3.864 -14.745 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.861 6.132 -14.230 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.207 6.655 -13.979 1.00 0.00 H new ATOM 360 N GLY A 93 -1.226 2.085 -12.875 1.00 0.00 N ATOM 361 CA GLY A 93 -1.100 0.648 -12.721 1.00 0.00 C ATOM 362 C GLY A 93 -1.460 0.180 -11.325 1.00 0.00 C ATOM 363 O GLY A 93 -2.512 -0.426 -11.117 1.00 0.00 O ATOM 0 H GLY A 93 -0.393 2.552 -13.234 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.745 0.150 -13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.076 0.350 -12.948 1.00 0.00 H new ATOM 367 N CYS A 94 -0.586 0.461 -10.364 1.00 0.00 N ATOM 368 CA CYS A 94 -0.816 0.064 -8.981 1.00 0.00 C ATOM 369 C CYS A 94 -2.277 0.268 -8.592 1.00 0.00 C ATOM 370 O CYS A 94 -2.938 -0.653 -8.112 1.00 0.00 O ATOM 371 CB CYS A 94 0.090 0.863 -8.042 1.00 0.00 C ATOM 372 SG CYS A 94 1.860 0.465 -8.199 1.00 0.00 S ATOM 0 H CYS A 94 0.289 0.963 -10.519 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.579 -0.996 -8.889 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.051 1.926 -8.236 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.222 0.683 -7.013 1.00 0.00 H new ATOM 0 HG CYS A 94 2.568 1.516 -7.910 1.00 0.00 H new ATOM 377 N LYS A 95 -2.776 1.481 -8.802 1.00 0.00 N ATOM 378 CA LYS A 95 -4.159 1.808 -8.476 1.00 0.00 C ATOM 379 C LYS A 95 -5.086 0.643 -8.807 1.00 0.00 C ATOM 380 O LYS A 95 -5.771 0.114 -7.932 1.00 0.00 O ATOM 381 CB LYS A 95 -4.603 3.059 -9.238 1.00 0.00 C ATOM 382 CG LYS A 95 -6.091 3.341 -9.129 1.00 0.00 C ATOM 383 CD LYS A 95 -6.492 4.548 -9.960 1.00 0.00 C ATOM 384 CE LYS A 95 -8.004 4.676 -10.064 1.00 0.00 C ATOM 385 NZ LYS A 95 -8.638 4.861 -8.729 1.00 0.00 N ATOM 0 H LYS A 95 -2.242 2.255 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.217 2.003 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.050 3.919 -8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.339 2.947 -10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.653 2.468 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.354 3.513 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.079 5.452 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.064 4.462 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.254 5.522 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.412 3.784 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.651 5.062 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.522 3.994 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.184 5.656 -8.236 1.00 0.00 H new ATOM 399 N GLY A 96 -5.100 0.245 -10.076 1.00 0.00 N ATOM 400 CA GLY A 96 -5.946 -0.856 -10.499 1.00 0.00 C ATOM 401 C GLY A 96 -5.750 -2.096 -9.650 1.00 0.00 C ATOM 402 O GLY A 96 -6.717 -2.750 -9.260 1.00 0.00 O ATOM 0 H GLY A 96 -4.541 0.665 -10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.990 -0.547 -10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.732 -1.095 -11.541 1.00 0.00 H new ATOM 406 N PHE A 97 -4.494 -2.423 -9.364 1.00 0.00 N ATOM 407 CA PHE A 97 -4.173 -3.596 -8.558 1.00 0.00 C ATOM 408 C PHE A 97 -4.880 -3.537 -7.207 1.00 0.00 C ATOM 409 O PHE A 97 -5.717 -4.385 -6.895 1.00 0.00 O ATOM 410 CB PHE A 97 -2.661 -3.701 -8.351 1.00 0.00 C ATOM 411 CG PHE A 97 -2.260 -4.799 -7.409 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.189 -6.113 -7.845 1.00 0.00 C ATOM 413 CD2 PHE A 97 -1.953 -4.519 -6.087 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.821 -7.126 -6.980 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.584 -5.528 -5.217 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.517 -6.833 -5.665 1.00 0.00 C ATOM 0 H PHE A 97 -3.682 -1.892 -9.678 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.521 -4.480 -9.093 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.181 -3.867 -9.315 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.288 -2.751 -7.969 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.424 -6.348 -8.873 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.003 -3.500 -5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.771 -8.146 -7.332 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.348 -5.296 -4.189 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.227 -7.623 -4.988 1.00 0.00 H new ATOM 426 N PHE A 98 -4.538 -2.531 -6.410 1.00 0.00 N ATOM 427 CA PHE A 98 -5.138 -2.361 -5.092 1.00 0.00 C ATOM 428 C PHE A 98 -6.653 -2.530 -5.158 1.00 0.00 C ATOM 429 O PHE A 98 -7.208 -3.473 -4.593 1.00 0.00 O ATOM 430 CB PHE A 98 -4.792 -0.983 -4.524 1.00 0.00 C ATOM 431 CG PHE A 98 -5.365 -0.736 -3.158 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.815 -1.343 -2.041 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.456 0.102 -2.992 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.340 -1.117 -0.782 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.986 0.331 -1.736 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.428 -0.280 -0.630 1.00 0.00 C ATOM 0 H PHE A 98 -3.848 -1.820 -6.654 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.732 -3.130 -4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.708 -0.880 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.157 -0.216 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.966 -2.001 -2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.897 0.581 -3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.900 -1.594 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.836 0.987 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.842 -0.104 0.352 1.00 0.00 H new ATOM 446 N ARG A 99 -7.315 -1.611 -5.852 1.00 0.00 N ATOM 447 CA ARG A 99 -8.766 -1.656 -5.991 1.00 0.00 C ATOM 448 C ARG A 99 -9.231 -3.058 -6.374 1.00 0.00 C ATOM 449 O ARG A 99 -10.000 -3.688 -5.647 1.00 0.00 O ATOM 450 CB ARG A 99 -9.231 -0.648 -7.043 1.00 0.00 C ATOM 451 CG ARG A 99 -10.725 -0.697 -7.316 1.00 0.00 C ATOM 452 CD ARG A 99 -11.231 0.620 -7.883 1.00 0.00 C ATOM 453 NE ARG A 99 -12.619 0.526 -8.330 1.00 0.00 N ATOM 454 CZ ARG A 99 -13.008 -0.201 -9.371 1.00 0.00 C ATOM 455 NH1 ARG A 99 -12.120 -0.894 -10.069 1.00 0.00 N ATOM 456 NH2 ARG A 99 -14.289 -0.236 -9.715 1.00 0.00 N ATOM 0 H ARG A 99 -6.870 -0.826 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.207 -1.395 -5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.963 0.356 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.694 -0.833 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.942 -1.503 -8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.257 -0.925 -6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.146 1.398 -7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.600 0.921 -8.720 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.328 1.047 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.134 -0.870 -9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.422 -1.451 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.975 0.296 -9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.587 -0.795 -10.515 1.00 0.00 H new ATOM 470 N ARG A 100 -8.762 -3.539 -7.520 1.00 0.00 N ATOM 471 CA ARG A 100 -9.131 -4.865 -8.000 1.00 0.00 C ATOM 472 C ARG A 100 -9.192 -5.864 -6.848 1.00 0.00 C ATOM 473 O ARG A 100 -10.204 -6.535 -6.645 1.00 0.00 O ATOM 474 CB ARG A 100 -8.132 -5.346 -9.054 1.00 0.00 C ATOM 475 CG ARG A 100 -8.420 -6.745 -9.573 1.00 0.00 C ATOM 476 CD ARG A 100 -7.651 -7.034 -10.853 1.00 0.00 C ATOM 477 NE ARG A 100 -8.073 -6.170 -11.952 1.00 0.00 N ATOM 478 CZ ARG A 100 -7.524 -6.198 -13.161 1.00 0.00 C ATOM 479 NH1 ARG A 100 -6.537 -7.043 -13.425 1.00 0.00 N ATOM 480 NH2 ARG A 100 -7.963 -5.380 -14.109 1.00 0.00 N ATOM 0 H ARG A 100 -8.126 -3.030 -8.134 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.121 -4.797 -8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.137 -4.649 -9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.129 -5.325 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.152 -7.479 -8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.489 -6.853 -9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.585 -6.898 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.796 -8.077 -11.135 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.831 -5.509 -11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.198 -7.674 -12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.117 -7.062 -14.354 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.723 -4.729 -13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.541 -5.402 -15.037 1.00 0.00 H new ATOM 494 N THR A 101 -8.100 -5.957 -6.094 1.00 0.00 N ATOM 495 CA THR A 101 -8.028 -6.874 -4.964 1.00 0.00 C ATOM 496 C THR A 101 -9.172 -6.632 -3.986 1.00 0.00 C ATOM 497 O THR A 101 -9.714 -7.573 -3.406 1.00 0.00 O ATOM 498 CB THR A 101 -6.689 -6.737 -4.214 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.598 -6.904 -5.126 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.586 -7.766 -3.099 1.00 0.00 C ATOM 0 H THR A 101 -7.254 -5.408 -6.246 1.00 0.00 H new ATOM 0 HA THR A 101 -8.107 -7.883 -5.370 1.00 0.00 H new ATOM 0 HB THR A 101 -6.645 -5.741 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.502 -6.096 -5.672 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.633 -7.650 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.401 -7.618 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.650 -8.769 -3.522 1.00 0.00 H new ATOM 508 N ILE A 102 -9.535 -5.366 -3.808 1.00 0.00 N ATOM 509 CA ILE A 102 -10.616 -5.002 -2.901 1.00 0.00 C ATOM 510 C ILE A 102 -11.969 -5.432 -3.459 1.00 0.00 C ATOM 511 O ILE A 102 -12.655 -6.270 -2.874 1.00 0.00 O ATOM 512 CB ILE A 102 -10.641 -3.485 -2.635 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.281 -3.014 -2.117 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.741 -3.140 -1.643 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.888 -3.639 -0.797 1.00 0.00 C ATOM 0 H ILE A 102 -9.096 -4.575 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.430 -5.524 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.850 -2.969 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.518 -3.245 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.299 -1.930 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.746 -2.065 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.706 -3.445 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.561 -3.662 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.913 -3.259 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.630 -3.387 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.837 -4.722 -0.908 1.00 0.00 H new ATOM 527 N ARG A 103 -12.346 -4.853 -4.594 1.00 0.00 N ATOM 528 CA ARG A 103 -13.616 -5.176 -5.232 1.00 0.00 C ATOM 529 C ARG A 103 -13.736 -6.677 -5.476 1.00 0.00 C ATOM 530 O ARG A 103 -14.833 -7.234 -5.455 1.00 0.00 O ATOM 531 CB ARG A 103 -13.754 -4.421 -6.555 1.00 0.00 C ATOM 532 CG ARG A 103 -12.591 -4.644 -7.508 1.00 0.00 C ATOM 533 CD ARG A 103 -12.642 -3.682 -8.684 1.00 0.00 C ATOM 534 NE ARG A 103 -13.602 -4.108 -9.699 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.318 -4.981 -10.659 1.00 0.00 C ATOM 536 NH1 ARG A 103 -12.109 -5.518 -10.735 1.00 0.00 N ATOM 537 NH2 ARG A 103 -14.246 -5.318 -11.546 1.00 0.00 N ATOM 0 H ARG A 103 -11.790 -4.157 -5.091 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.418 -4.869 -4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.678 -4.729 -7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.843 -3.355 -6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.650 -4.516 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.611 -5.670 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.909 -2.687 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.651 -3.604 -9.132 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.542 -3.713 -9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.393 -5.261 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.894 -6.188 -11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.178 -4.907 -11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.027 -5.988 -12.283 1.00 0.00 H new ATOM 551 N MET A 104 -12.599 -7.326 -5.708 1.00 0.00 N ATOM 552 CA MET A 104 -12.577 -8.763 -5.956 1.00 0.00 C ATOM 553 C MET A 104 -12.329 -9.534 -4.663 1.00 0.00 C ATOM 554 O MET A 104 -12.605 -10.731 -4.579 1.00 0.00 O ATOM 555 CB MET A 104 -11.498 -9.108 -6.984 1.00 0.00 C ATOM 556 CG MET A 104 -11.724 -8.464 -8.342 1.00 0.00 C ATOM 557 SD MET A 104 -10.778 -9.259 -9.654 1.00 0.00 S ATOM 558 CE MET A 104 -11.677 -10.798 -9.834 1.00 0.00 C ATOM 0 H MET A 104 -11.682 -6.880 -5.729 1.00 0.00 H new ATOM 0 HA MET A 104 -13.551 -9.054 -6.350 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.528 -8.794 -6.599 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.457 -10.190 -7.107 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.785 -8.506 -8.588 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.451 -7.410 -8.290 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.458 -11.235 -10.808 1.00 0.00 H new ATOM 0 HE2 MET A 104 -11.373 -11.491 -9.049 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.747 -10.606 -9.754 1.00 0.00 H new ATOM 568 N LYS A 105 -11.807 -8.840 -3.657 1.00 0.00 N ATOM 569 CA LYS A 105 -11.522 -9.458 -2.367 1.00 0.00 C ATOM 570 C LYS A 105 -10.582 -10.648 -2.530 1.00 0.00 C ATOM 571 O LYS A 105 -10.823 -11.723 -1.978 1.00 0.00 O ATOM 572 CB LYS A 105 -12.822 -9.910 -1.697 1.00 0.00 C ATOM 573 CG LYS A 105 -13.514 -8.810 -0.909 1.00 0.00 C ATOM 574 CD LYS A 105 -12.785 -8.513 0.391 1.00 0.00 C ATOM 575 CE LYS A 105 -13.151 -9.513 1.477 1.00 0.00 C ATOM 576 NZ LYS A 105 -12.378 -9.281 2.728 1.00 0.00 N ATOM 0 H LYS A 105 -11.573 -7.849 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.034 -8.715 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.504 -10.283 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.606 -10.744 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.565 -7.905 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.540 -9.107 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.709 -8.538 0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.031 -7.505 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.218 -9.443 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.964 -10.525 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.656 -9.983 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.361 -9.373 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.576 -8.325 3.086 1.00 0.00 H new ATOM 590 N LEU A 106 -9.511 -10.450 -3.289 1.00 0.00 N ATOM 591 CA LEU A 106 -8.533 -11.507 -3.523 1.00 0.00 C ATOM 592 C LEU A 106 -7.682 -11.747 -2.280 1.00 0.00 C ATOM 593 O LEU A 106 -7.232 -10.802 -1.633 1.00 0.00 O ATOM 594 CB LEU A 106 -7.635 -11.145 -4.708 1.00 0.00 C ATOM 595 CG LEU A 106 -8.352 -10.799 -6.013 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.389 -10.151 -6.996 1.00 0.00 C ATOM 597 CD2 LEU A 106 -8.982 -12.043 -6.622 1.00 0.00 C ATOM 0 H LEU A 106 -9.297 -9.567 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.075 -12.425 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.015 -10.296 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.962 -11.982 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.146 -10.086 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.917 -9.912 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.986 -9.236 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.573 -10.840 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.488 -11.777 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.206 -12.779 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.704 -12.464 -5.923 1.00 0.00 H new ATOM 609 N GLU A 107 -7.464 -13.017 -1.954 1.00 0.00 N ATOM 610 CA GLU A 107 -6.666 -13.380 -0.789 1.00 0.00 C ATOM 611 C GLU A 107 -5.249 -13.769 -1.200 1.00 0.00 C ATOM 612 O GLU A 107 -5.017 -14.211 -2.326 1.00 0.00 O ATOM 613 CB GLU A 107 -7.324 -14.535 -0.032 1.00 0.00 C ATOM 614 CG GLU A 107 -6.644 -14.864 1.287 1.00 0.00 C ATOM 615 CD GLU A 107 -7.537 -15.657 2.221 1.00 0.00 C ATOM 616 OE1 GLU A 107 -8.745 -15.346 2.293 1.00 0.00 O ATOM 617 OE2 GLU A 107 -7.029 -16.587 2.882 1.00 0.00 O ATOM 0 H GLU A 107 -7.829 -13.811 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.610 -12.511 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.368 -14.285 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.319 -15.422 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.734 -15.432 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.343 -13.938 1.777 1.00 0.00 H new ATOM 624 N TYR A 108 -4.305 -13.601 -0.281 1.00 0.00 N ATOM 625 CA TYR A 108 -2.910 -13.932 -0.548 1.00 0.00 C ATOM 626 C TYR A 108 -2.296 -14.690 0.625 1.00 0.00 C ATOM 627 O TYR A 108 -2.952 -14.919 1.641 1.00 0.00 O ATOM 628 CB TYR A 108 -2.107 -12.660 -0.824 1.00 0.00 C ATOM 629 CG TYR A 108 -2.538 -11.932 -2.078 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.864 -12.631 -3.233 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.619 -10.546 -2.106 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.257 -11.971 -4.381 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.013 -9.876 -3.249 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.331 -10.593 -4.384 1.00 0.00 C ATOM 635 OH TYR A 108 -3.723 -9.931 -5.524 1.00 0.00 O ATOM 0 H TYR A 108 -4.480 -13.237 0.656 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.877 -14.573 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.204 -11.987 0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.051 -12.918 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.809 -13.710 -3.234 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.370 -9.982 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.505 -12.530 -5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.072 -8.798 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.723 -8.965 -5.358 1.00 0.00 H new ATOM 645 N GLU A 109 -1.033 -15.075 0.476 1.00 0.00 N ATOM 646 CA GLU A 109 -0.329 -15.807 1.523 1.00 0.00 C ATOM 647 C GLU A 109 0.770 -14.949 2.143 1.00 0.00 C ATOM 648 O GLU A 109 1.476 -14.223 1.443 1.00 0.00 O ATOM 649 CB GLU A 109 0.273 -17.096 0.958 1.00 0.00 C ATOM 650 CG GLU A 109 0.672 -18.100 2.026 1.00 0.00 C ATOM 651 CD GLU A 109 1.488 -19.250 1.469 1.00 0.00 C ATOM 652 OE1 GLU A 109 0.883 -20.219 0.965 1.00 0.00 O ATOM 653 OE2 GLU A 109 2.733 -19.181 1.539 1.00 0.00 O ATOM 0 H GLU A 109 -0.476 -14.893 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.050 -16.061 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.449 -17.560 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.150 -16.846 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.248 -17.592 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.226 -18.494 2.503 1.00 0.00 H new ATOM 660 N LYS A 110 0.908 -15.037 3.461 1.00 0.00 N ATOM 661 CA LYS A 110 1.920 -14.270 4.178 1.00 0.00 C ATOM 662 C LYS A 110 3.308 -14.528 3.600 1.00 0.00 C ATOM 663 O LYS A 110 3.901 -15.582 3.828 1.00 0.00 O ATOM 664 CB LYS A 110 1.902 -14.627 5.666 1.00 0.00 C ATOM 665 CG LYS A 110 3.026 -13.985 6.460 1.00 0.00 C ATOM 666 CD LYS A 110 2.892 -14.269 7.946 1.00 0.00 C ATOM 667 CE LYS A 110 2.127 -13.164 8.659 1.00 0.00 C ATOM 668 NZ LYS A 110 0.658 -13.407 8.643 1.00 0.00 N ATOM 0 H LYS A 110 0.331 -15.632 4.055 1.00 0.00 H new ATOM 0 HA LYS A 110 1.687 -13.211 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.947 -14.321 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.966 -15.710 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.985 -14.359 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.022 -12.908 6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.379 -15.220 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.883 -14.371 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.472 -13.091 9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.342 -12.208 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.212 -12.891 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.261 -13.075 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.473 -14.425 8.748 1.00 0.00 H new ATOM 682 N CYS A 111 3.822 -13.557 2.851 1.00 0.00 N ATOM 683 CA CYS A 111 5.140 -13.678 2.241 1.00 0.00 C ATOM 684 C CYS A 111 6.215 -13.086 3.149 1.00 0.00 C ATOM 685 O CYS A 111 6.441 -11.877 3.152 1.00 0.00 O ATOM 686 CB CYS A 111 5.162 -12.976 0.882 1.00 0.00 C ATOM 687 SG CYS A 111 6.599 -13.404 -0.153 1.00 0.00 S ATOM 0 H CYS A 111 3.345 -12.678 2.652 1.00 0.00 H new ATOM 0 HA CYS A 111 5.352 -14.738 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.250 -13.227 0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 111 5.151 -11.898 1.042 1.00 0.00 H new ATOM 0 HG CYS A 111 6.459 -12.873 -1.331 1.00 0.00 H new ATOM 692 N GLU A 112 6.875 -13.949 3.916 1.00 0.00 N ATOM 693 CA GLU A 112 7.925 -13.512 4.827 1.00 0.00 C ATOM 694 C GLU A 112 9.099 -12.912 4.057 1.00 0.00 C ATOM 695 O GLU A 112 9.659 -11.891 4.456 1.00 0.00 O ATOM 696 CB GLU A 112 8.409 -14.684 5.683 1.00 0.00 C ATOM 697 CG GLU A 112 7.515 -14.975 6.878 1.00 0.00 C ATOM 698 CD GLU A 112 7.188 -13.729 7.678 1.00 0.00 C ATOM 699 OE1 GLU A 112 8.049 -13.286 8.466 1.00 0.00 O ATOM 700 OE2 GLU A 112 6.069 -13.198 7.516 1.00 0.00 O ATOM 0 H GLU A 112 6.701 -14.954 3.924 1.00 0.00 H new ATOM 0 HA GLU A 112 7.508 -12.743 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.471 -15.577 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.418 -14.472 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.589 -15.433 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.006 -15.700 7.527 1.00 0.00 H new ATOM 707 N ARG A 113 9.464 -13.555 2.953 1.00 0.00 N ATOM 708 CA ARG A 113 10.572 -13.087 2.128 1.00 0.00 C ATOM 709 C ARG A 113 10.570 -11.564 2.029 1.00 0.00 C ATOM 710 O ARG A 113 11.617 -10.943 1.849 1.00 0.00 O ATOM 711 CB ARG A 113 10.488 -13.699 0.729 1.00 0.00 C ATOM 712 CG ARG A 113 11.179 -15.048 0.612 1.00 0.00 C ATOM 713 CD ARG A 113 11.295 -15.490 -0.838 1.00 0.00 C ATOM 714 NE ARG A 113 12.196 -16.629 -0.993 1.00 0.00 N ATOM 715 CZ ARG A 113 12.768 -16.963 -2.145 1.00 0.00 C ATOM 716 NH1 ARG A 113 12.533 -16.248 -3.237 1.00 0.00 N ATOM 717 NH2 ARG A 113 13.576 -18.013 -2.206 1.00 0.00 N ATOM 0 H ARG A 113 9.009 -14.401 2.609 1.00 0.00 H new ATOM 0 HA ARG A 113 11.502 -13.403 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.439 -13.812 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 113 10.933 -13.009 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.173 -14.989 1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.621 -15.794 1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 113 10.308 -15.755 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 113 11.655 -14.658 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 113 12.397 -17.199 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.912 -15.440 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.973 -16.506 -4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.759 -18.565 -1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.014 -18.268 -3.091 1.00 0.00 H new ATOM 731 N SER A 114 9.387 -10.969 2.149 1.00 0.00 N ATOM 732 CA SER A 114 9.249 -9.520 2.069 1.00 0.00 C ATOM 733 C SER A 114 9.853 -8.987 0.773 1.00 0.00 C ATOM 734 O SER A 114 10.590 -8.001 0.777 1.00 0.00 O ATOM 735 CB SER A 114 9.923 -8.855 3.270 1.00 0.00 C ATOM 736 OG SER A 114 9.067 -8.855 4.400 1.00 0.00 O ATOM 0 H SER A 114 8.511 -11.468 2.302 1.00 0.00 H new ATOM 0 HA SER A 114 8.186 -9.280 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.847 -9.381 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.196 -7.831 3.017 1.00 0.00 H new ATOM 0 HG SER A 114 8.976 -9.769 4.742 1.00 0.00 H new ATOM 742 N CYS A 115 9.536 -9.648 -0.336 1.00 0.00 N ATOM 743 CA CYS A 115 10.047 -9.244 -1.640 1.00 0.00 C ATOM 744 C CYS A 115 10.002 -7.726 -1.795 1.00 0.00 C ATOM 745 O CYS A 115 9.113 -7.062 -1.262 1.00 0.00 O ATOM 746 CB CYS A 115 9.236 -9.905 -2.756 1.00 0.00 C ATOM 747 SG CYS A 115 8.847 -11.659 -2.453 1.00 0.00 S ATOM 0 H CYS A 115 8.927 -10.466 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 115 11.085 -9.569 -1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.304 -9.355 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.790 -9.823 -3.691 1.00 0.00 H new ATOM 0 HG CYS A 115 7.574 -11.857 -2.624 1.00 0.00 H new ATOM 752 N LYS A 116 10.968 -7.183 -2.528 1.00 0.00 N ATOM 753 CA LYS A 116 11.040 -5.745 -2.756 1.00 0.00 C ATOM 754 C LYS A 116 10.299 -5.358 -4.032 1.00 0.00 C ATOM 755 O LYS A 116 10.727 -5.697 -5.136 1.00 0.00 O ATOM 756 CB LYS A 116 12.500 -5.294 -2.845 1.00 0.00 C ATOM 757 CG LYS A 116 12.684 -3.795 -2.684 1.00 0.00 C ATOM 758 CD LYS A 116 12.581 -3.075 -4.019 1.00 0.00 C ATOM 759 CE LYS A 116 12.555 -1.565 -3.836 1.00 0.00 C ATOM 760 NZ LYS A 116 13.901 -1.023 -3.503 1.00 0.00 N ATOM 0 H LYS A 116 11.713 -7.718 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 116 10.562 -5.245 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.078 -5.807 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.908 -5.600 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.929 -3.406 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.656 -3.593 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 116 13.426 -3.352 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.678 -3.396 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.190 -1.095 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.853 -1.307 -3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.841 0.009 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.239 -1.452 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.565 -1.246 -4.272 1.00 0.00 H new ATOM 774 N ILE A 117 9.188 -4.647 -3.874 1.00 0.00 N ATOM 775 CA ILE A 117 8.391 -4.212 -5.014 1.00 0.00 C ATOM 776 C ILE A 117 9.145 -3.187 -5.853 1.00 0.00 C ATOM 777 O ILE A 117 9.011 -1.981 -5.644 1.00 0.00 O ATOM 778 CB ILE A 117 7.049 -3.604 -4.563 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.267 -4.610 -3.717 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.232 -3.171 -5.771 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.936 -5.890 -4.452 1.00 0.00 C ATOM 0 H ILE A 117 8.819 -4.360 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 117 8.194 -5.098 -5.618 1.00 0.00 H new ATOM 0 HB ILE A 117 7.252 -2.725 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.847 -4.852 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.341 -4.145 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.287 -2.743 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.788 -2.424 -6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.035 -4.035 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.381 -6.556 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.329 -5.660 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.859 -6.377 -4.767 1.00 0.00 H new ATOM 793 N GLN A 118 9.935 -3.675 -6.804 1.00 0.00 N ATOM 794 CA GLN A 118 10.709 -2.799 -7.677 1.00 0.00 C ATOM 795 C GLN A 118 9.870 -2.329 -8.860 1.00 0.00 C ATOM 796 O GLN A 118 8.937 -3.012 -9.283 1.00 0.00 O ATOM 797 CB GLN A 118 11.960 -3.522 -8.179 1.00 0.00 C ATOM 798 CG GLN A 118 12.960 -2.604 -8.863 1.00 0.00 C ATOM 799 CD GLN A 118 14.380 -3.130 -8.791 1.00 0.00 C ATOM 800 OE1 GLN A 118 14.603 -4.323 -8.583 1.00 0.00 O ATOM 801 NE2 GLN A 118 15.350 -2.240 -8.963 1.00 0.00 N ATOM 0 H GLN A 118 10.056 -4.671 -6.990 1.00 0.00 H new ATOM 0 HA GLN A 118 11.010 -1.925 -7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.448 -4.014 -7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.662 -4.305 -8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.676 -2.478 -9.908 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.918 -1.618 -8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 118 15.120 -1.261 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 118 16.326 -2.535 -8.925 1.00 0.00 H new ATOM 810 N LYS A 119 10.207 -1.159 -9.390 1.00 0.00 N ATOM 811 CA LYS A 119 9.486 -0.596 -10.526 1.00 0.00 C ATOM 812 C LYS A 119 9.627 -1.488 -11.756 1.00 0.00 C ATOM 813 O LYS A 119 8.671 -1.686 -12.505 1.00 0.00 O ATOM 814 CB LYS A 119 10.003 0.809 -10.839 1.00 0.00 C ATOM 815 CG LYS A 119 11.494 0.859 -11.127 1.00 0.00 C ATOM 816 CD LYS A 119 11.883 2.145 -11.837 1.00 0.00 C ATOM 817 CE LYS A 119 13.084 1.938 -12.746 1.00 0.00 C ATOM 818 NZ LYS A 119 14.355 1.852 -11.975 1.00 0.00 N ATOM 0 H LYS A 119 10.976 -0.581 -9.051 1.00 0.00 H new ATOM 0 HA LYS A 119 8.430 -0.537 -10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.462 1.203 -11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.782 1.464 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.049 0.776 -10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.776 0.004 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.039 2.507 -12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.112 2.914 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.948 1.025 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.146 2.761 -13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.150 1.711 -12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.498 2.734 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.306 1.051 -11.313 1.00 0.00 H new ATOM 832 N LYS A 120 10.826 -2.024 -11.957 1.00 0.00 N ATOM 833 CA LYS A 120 11.093 -2.897 -13.094 1.00 0.00 C ATOM 834 C LYS A 120 10.117 -4.069 -13.121 1.00 0.00 C ATOM 835 O LYS A 120 9.461 -4.319 -14.132 1.00 0.00 O ATOM 836 CB LYS A 120 12.531 -3.418 -13.037 1.00 0.00 C ATOM 837 CG LYS A 120 13.540 -2.491 -13.692 1.00 0.00 C ATOM 838 CD LYS A 120 14.935 -2.697 -13.127 1.00 0.00 C ATOM 839 CE LYS A 120 15.683 -3.792 -13.873 1.00 0.00 C ATOM 840 NZ LYS A 120 15.426 -5.137 -13.288 1.00 0.00 N ATOM 0 H LYS A 120 11.629 -1.869 -11.347 1.00 0.00 H new ATOM 0 HA LYS A 120 10.960 -2.315 -14.006 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.813 -3.570 -11.995 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.575 -4.392 -13.524 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.552 -2.667 -14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.235 -1.455 -13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.496 -1.764 -13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.866 -2.957 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.382 -3.788 -14.921 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.753 -3.583 -13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 16.111 -5.819 -13.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.526 -5.091 -12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.461 -5.442 -13.529 1.00 0.00 H new ATOM 854 N ASN A 121 10.025 -4.783 -12.004 1.00 0.00 N ATOM 855 CA ASN A 121 9.128 -5.928 -11.900 1.00 0.00 C ATOM 856 C ASN A 121 8.098 -5.713 -10.795 1.00 0.00 C ATOM 857 O ASN A 121 8.313 -6.102 -9.647 1.00 0.00 O ATOM 858 CB ASN A 121 9.926 -7.204 -11.627 1.00 0.00 C ATOM 859 CG ASN A 121 9.247 -8.441 -12.183 1.00 0.00 C ATOM 860 OD1 ASN A 121 9.776 -9.105 -13.074 1.00 0.00 O ATOM 861 ND2 ASN A 121 8.068 -8.755 -11.659 1.00 0.00 N ATOM 0 H ASN A 121 10.561 -4.589 -11.158 1.00 0.00 H new ATOM 0 HA ASN A 121 8.601 -6.033 -12.848 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.919 -7.109 -12.067 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.063 -7.320 -10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 121 7.563 -9.576 -11.994 1.00 0.00 H new ATOM 0 HD22 ASN A 121 7.667 -8.176 -10.922 1.00 0.00 H new ATOM 868 N ARG A 122 6.978 -5.091 -11.151 1.00 0.00 N ATOM 869 CA ARG A 122 5.914 -4.824 -10.190 1.00 0.00 C ATOM 870 C ARG A 122 5.072 -6.074 -9.951 1.00 0.00 C ATOM 871 O ARG A 122 4.685 -6.365 -8.820 1.00 0.00 O ATOM 872 CB ARG A 122 5.024 -3.683 -10.687 1.00 0.00 C ATOM 873 CG ARG A 122 5.774 -2.380 -10.912 1.00 0.00 C ATOM 874 CD ARG A 122 4.819 -1.229 -11.186 1.00 0.00 C ATOM 875 NE ARG A 122 4.041 -1.442 -12.404 1.00 0.00 N ATOM 876 CZ ARG A 122 4.480 -1.135 -13.620 1.00 0.00 C ATOM 877 NH1 ARG A 122 5.685 -0.606 -13.779 1.00 0.00 N ATOM 878 NH2 ARG A 122 3.714 -1.359 -14.679 1.00 0.00 N ATOM 0 H ARG A 122 6.784 -4.763 -12.097 1.00 0.00 H new ATOM 0 HA ARG A 122 6.375 -4.531 -9.246 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.548 -3.985 -11.620 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.227 -3.513 -9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.380 -2.151 -10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.459 -2.494 -11.752 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.142 -1.110 -10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.385 -0.302 -11.275 1.00 0.00 H new ATOM 0 HE ARG A 122 3.110 -1.849 -12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.278 -0.434 -12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.020 -0.371 -14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.787 -1.767 -14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.052 -1.123 -15.612 1.00 0.00 H new ATOM 892 N ASN A 123 4.792 -6.807 -11.023 1.00 0.00 N ATOM 893 CA ASN A 123 3.994 -8.024 -10.930 1.00 0.00 C ATOM 894 C ASN A 123 4.853 -9.205 -10.490 1.00 0.00 C ATOM 895 O ASN A 123 4.756 -10.300 -11.045 1.00 0.00 O ATOM 896 CB ASN A 123 3.335 -8.332 -12.276 1.00 0.00 C ATOM 897 CG ASN A 123 2.354 -7.256 -12.699 1.00 0.00 C ATOM 898 OD1 ASN A 123 2.541 -6.598 -13.723 1.00 0.00 O ATOM 899 ND2 ASN A 123 1.302 -7.072 -11.911 1.00 0.00 N ATOM 0 H ASN A 123 5.106 -6.580 -11.967 1.00 0.00 H new ATOM 0 HA ASN A 123 3.218 -7.863 -10.182 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.106 -8.437 -13.039 1.00 0.00 H new ATOM 0 HB3 ASN A 123 2.816 -9.288 -12.213 1.00 0.00 H new ATOM 0 HD21 ASN A 123 0.608 -6.362 -12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 123 1.188 -7.641 -11.072 1.00 0.00 H new ATOM 906 N LYS A 124 5.696 -8.976 -9.488 1.00 0.00 N ATOM 907 CA LYS A 124 6.572 -10.020 -8.970 1.00 0.00 C ATOM 908 C LYS A 124 5.895 -10.787 -7.839 1.00 0.00 C ATOM 909 O LYS A 124 5.736 -12.006 -7.910 1.00 0.00 O ATOM 910 CB LYS A 124 7.886 -9.412 -8.474 1.00 0.00 C ATOM 911 CG LYS A 124 8.909 -10.447 -8.041 1.00 0.00 C ATOM 912 CD LYS A 124 9.637 -11.045 -9.233 1.00 0.00 C ATOM 913 CE LYS A 124 11.009 -11.572 -8.842 1.00 0.00 C ATOM 914 NZ LYS A 124 11.499 -12.605 -9.796 1.00 0.00 N ATOM 0 H LYS A 124 5.791 -8.075 -9.018 1.00 0.00 H new ATOM 0 HA LYS A 124 6.785 -10.717 -9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.315 -8.799 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.676 -8.748 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.631 -9.986 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.412 -11.240 -7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.042 -11.855 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.745 -10.289 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.719 -10.745 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.963 -11.997 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.437 -12.939 -9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.835 -13.405 -9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.568 -12.193 -10.748 1.00 0.00 H new ATOM 928 N CYS A 125 5.497 -10.066 -6.796 1.00 0.00 N ATOM 929 CA CYS A 125 4.836 -10.678 -5.650 1.00 0.00 C ATOM 930 C CYS A 125 3.426 -10.121 -5.474 1.00 0.00 C ATOM 931 O CYS A 125 3.186 -8.934 -5.695 1.00 0.00 O ATOM 932 CB CYS A 125 5.652 -10.442 -4.378 1.00 0.00 C ATOM 933 SG CYS A 125 5.167 -11.499 -2.976 1.00 0.00 S ATOM 0 H CYS A 125 5.621 -9.056 -6.721 1.00 0.00 H new ATOM 0 HA CYS A 125 4.764 -11.750 -5.833 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.706 -10.611 -4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.551 -9.397 -4.083 1.00 0.00 H new ATOM 0 HG CYS A 125 5.578 -10.962 -1.865 1.00 0.00 H new ATOM 938 N GLN A 126 2.500 -10.986 -5.074 1.00 0.00 N ATOM 939 CA GLN A 126 1.114 -10.580 -4.868 1.00 0.00 C ATOM 940 C GLN A 126 0.909 -10.039 -3.457 1.00 0.00 C ATOM 941 O GLN A 126 0.300 -8.986 -3.267 1.00 0.00 O ATOM 942 CB GLN A 126 0.173 -11.759 -5.117 1.00 0.00 C ATOM 943 CG GLN A 126 0.063 -12.152 -6.582 1.00 0.00 C ATOM 944 CD GLN A 126 -0.479 -13.555 -6.771 1.00 0.00 C ATOM 945 OE1 GLN A 126 -1.591 -13.866 -6.344 1.00 0.00 O ATOM 946 NE2 GLN A 126 0.306 -14.411 -7.415 1.00 0.00 N ATOM 0 H GLN A 126 2.684 -11.972 -4.886 1.00 0.00 H new ATOM 0 HA GLN A 126 0.885 -9.786 -5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.522 -12.618 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.819 -11.507 -4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.586 -11.444 -7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.046 -12.080 -7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.221 -14.110 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -0.006 -15.369 -7.573 1.00 0.00 H new ATOM 955 N TYR A 127 1.421 -10.767 -2.470 1.00 0.00 N ATOM 956 CA TYR A 127 1.291 -10.362 -1.076 1.00 0.00 C ATOM 957 C TYR A 127 2.080 -9.085 -0.803 1.00 0.00 C ATOM 958 O TYR A 127 1.505 -8.029 -0.540 1.00 0.00 O ATOM 959 CB TYR A 127 1.774 -11.481 -0.151 1.00 0.00 C ATOM 960 CG TYR A 127 1.455 -11.241 1.307 1.00 0.00 C ATOM 961 CD1 TYR A 127 0.193 -11.520 1.818 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.416 -10.737 2.176 1.00 0.00 C ATOM 963 CE1 TYR A 127 -0.103 -11.302 3.149 1.00 0.00 C ATOM 964 CE2 TYR A 127 2.129 -10.518 3.509 1.00 0.00 C ATOM 965 CZ TYR A 127 0.868 -10.801 3.991 1.00 0.00 C ATOM 966 OH TYR A 127 0.577 -10.584 5.318 1.00 0.00 O ATOM 0 H TYR A 127 1.930 -11.640 -2.610 1.00 0.00 H new ATOM 0 HA TYR A 127 0.237 -10.165 -0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.320 -12.421 -0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.852 -11.595 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.570 -11.914 1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.404 -10.513 1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -1.090 -11.523 3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 127 2.888 -10.127 4.171 1.00 0.00 H new ATOM 0 HH TYR A 127 1.370 -10.230 5.773 1.00 0.00 H new ATOM 976 N CYS A 128 3.404 -9.190 -0.869 1.00 0.00 N ATOM 977 CA CYS A 128 4.275 -8.046 -0.631 1.00 0.00 C ATOM 978 C CYS A 128 3.722 -6.792 -1.303 1.00 0.00 C ATOM 979 O CYS A 128 3.730 -5.708 -0.720 1.00 0.00 O ATOM 980 CB CYS A 128 5.685 -8.335 -1.147 1.00 0.00 C ATOM 981 SG CYS A 128 6.582 -9.601 -0.191 1.00 0.00 S ATOM 0 H CYS A 128 3.896 -10.057 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 128 4.318 -7.872 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.621 -8.657 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 128 6.261 -7.410 -1.135 1.00 0.00 H new ATOM 0 HG CYS A 128 7.229 -10.382 -1.005 1.00 0.00 H new ATOM 986 N ARG A 129 3.244 -6.949 -2.533 1.00 0.00 N ATOM 987 CA ARG A 129 2.689 -5.831 -3.286 1.00 0.00 C ATOM 988 C ARG A 129 1.545 -5.174 -2.519 1.00 0.00 C ATOM 989 O ARG A 129 1.628 -4.005 -2.140 1.00 0.00 O ATOM 990 CB ARG A 129 2.194 -6.304 -4.654 1.00 0.00 C ATOM 991 CG ARG A 129 1.618 -5.190 -5.512 1.00 0.00 C ATOM 992 CD ARG A 129 1.308 -5.675 -6.920 1.00 0.00 C ATOM 993 NE ARG A 129 1.130 -4.566 -7.854 1.00 0.00 N ATOM 994 CZ ARG A 129 0.605 -4.704 -9.066 1.00 0.00 C ATOM 995 NH1 ARG A 129 0.209 -5.896 -9.489 1.00 0.00 N ATOM 996 NH2 ARG A 129 0.475 -3.647 -9.858 1.00 0.00 N ATOM 0 H ARG A 129 3.230 -7.840 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 129 3.479 -5.094 -3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.021 -6.772 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.433 -7.071 -4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.709 -4.806 -5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.326 -4.362 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.117 -6.316 -7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.404 -6.283 -6.903 1.00 0.00 H new ATOM 0 HE ARG A 129 1.425 -3.635 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.307 -6.711 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.194 -5.999 -10.420 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.778 -2.728 -9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.072 -3.754 -10.789 1.00 0.00 H new ATOM 1010 N PHE A 130 0.478 -5.933 -2.294 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.684 -5.424 -1.574 1.00 0.00 C ATOM 1012 C PHE A 130 -0.280 -4.880 -0.206 1.00 0.00 C ATOM 1013 O PHE A 130 -0.715 -3.802 0.196 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.731 -6.528 -1.407 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.032 -6.039 -0.839 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -3.986 -5.456 -1.658 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.301 -6.161 0.515 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.185 -5.006 -1.138 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.498 -5.713 1.040 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.441 -5.133 0.213 1.00 0.00 C ATOM 0 H PHE A 130 0.394 -6.902 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.114 -4.610 -2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.918 -6.990 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.328 -7.304 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.790 -5.352 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.567 -6.611 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.921 -4.556 -1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -4.697 -5.816 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.376 -4.780 0.622 1.00 0.00 H new ATOM 1030 N GLN A 131 0.553 -5.636 0.502 1.00 0.00 N ATOM 1031 CA GLN A 131 1.013 -5.230 1.825 1.00 0.00 C ATOM 1032 C GLN A 131 1.500 -3.785 1.812 1.00 0.00 C ATOM 1033 O GLN A 131 1.035 -2.955 2.595 1.00 0.00 O ATOM 1034 CB GLN A 131 2.135 -6.154 2.303 1.00 0.00 C ATOM 1035 CG GLN A 131 1.637 -7.381 3.048 1.00 0.00 C ATOM 1036 CD GLN A 131 1.199 -7.065 4.465 1.00 0.00 C ATOM 1037 OE1 GLN A 131 2.025 -6.943 5.370 1.00 0.00 O ATOM 1038 NE2 GLN A 131 -0.107 -6.932 4.665 1.00 0.00 N ATOM 0 H GLN A 131 0.923 -6.531 0.182 1.00 0.00 H new ATOM 0 HA GLN A 131 0.171 -5.305 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.721 -6.475 1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.805 -5.592 2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.801 -7.818 2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.428 -8.131 3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -0.756 -7.041 3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -0.461 -6.720 5.598 1.00 0.00 H new ATOM 1047 N LYS A 132 2.438 -3.489 0.919 1.00 0.00 N ATOM 1048 CA LYS A 132 2.987 -2.143 0.803 1.00 0.00 C ATOM 1049 C LYS A 132 1.875 -1.100 0.795 1.00 0.00 C ATOM 1050 O LYS A 132 1.935 -0.109 1.524 1.00 0.00 O ATOM 1051 CB LYS A 132 3.825 -2.021 -0.472 1.00 0.00 C ATOM 1052 CG LYS A 132 4.443 -0.646 -0.664 1.00 0.00 C ATOM 1053 CD LYS A 132 5.384 -0.619 -1.857 1.00 0.00 C ATOM 1054 CE LYS A 132 6.277 0.611 -1.834 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.524 0.377 -1.054 1.00 0.00 N ATOM 0 H LYS A 132 2.834 -4.164 0.264 1.00 0.00 H new ATOM 0 HA LYS A 132 3.624 -1.961 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.619 -2.767 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.197 -2.252 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.654 0.092 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.987 -0.362 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.001 -1.518 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 132 4.804 -0.632 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.535 0.892 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.730 1.449 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.106 1.239 -1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 7.279 0.134 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.059 -0.406 -1.481 1.00 0.00 H new ATOM 1069 N CYS A 133 0.861 -1.329 -0.032 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.266 -0.409 -0.134 1.00 0.00 C ATOM 1071 C CYS A 133 -0.859 -0.121 1.241 1.00 0.00 C ATOM 1072 O CYS A 133 -0.932 1.032 1.669 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.341 -0.987 -1.056 1.00 0.00 C ATOM 1074 SG CYS A 133 -0.886 -0.995 -2.806 1.00 0.00 S ATOM 0 H CYS A 133 0.796 -2.144 -0.642 1.00 0.00 H new ATOM 0 HA CYS A 133 0.098 0.528 -0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.561 -2.008 -0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.258 -0.411 -0.933 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.480 -0.011 -3.413 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.283 -1.176 1.929 1.00 0.00 N ATOM 1081 CA LEU A 134 -1.872 -1.037 3.257 1.00 0.00 C ATOM 1082 C LEU A 134 -1.019 -0.131 4.139 1.00 0.00 C ATOM 1083 O LEU A 134 -1.537 0.747 4.829 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.026 -2.409 3.914 1.00 0.00 C ATOM 1085 CG LEU A 134 -2.997 -3.374 3.233 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.863 -4.770 3.822 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.428 -2.873 3.366 1.00 0.00 C ATOM 0 H LEU A 134 -1.230 -2.136 1.590 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.856 -0.582 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.045 -2.882 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.353 -2.262 4.943 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.747 -3.423 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.562 -5.443 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.845 -5.131 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.086 -4.738 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.105 -3.572 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.689 -2.794 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.516 -1.893 2.897 1.00 0.00 H new ATOM 1099 N ALA A 135 0.292 -0.348 4.109 1.00 0.00 N ATOM 1100 CA ALA A 135 1.217 0.451 4.902 1.00 0.00 C ATOM 1101 C ALA A 135 1.059 1.937 4.598 1.00 0.00 C ATOM 1102 O ALA A 135 1.026 2.767 5.508 1.00 0.00 O ATOM 1103 CB ALA A 135 2.650 0.008 4.647 1.00 0.00 C ATOM 0 H ALA A 135 0.737 -1.071 3.544 1.00 0.00 H new ATOM 0 HA ALA A 135 0.982 0.295 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.330 0.614 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.761 -1.041 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.887 0.134 3.591 1.00 0.00 H new ATOM 1109 N LEU A 136 0.961 2.266 3.315 1.00 0.00 N ATOM 1110 CA LEU A 136 0.807 3.653 2.891 1.00 0.00 C ATOM 1111 C LEU A 136 -0.474 4.257 3.457 1.00 0.00 C ATOM 1112 O LEU A 136 -0.549 5.460 3.705 1.00 0.00 O ATOM 1113 CB LEU A 136 0.794 3.742 1.364 1.00 0.00 C ATOM 1114 CG LEU A 136 2.113 3.416 0.661 1.00 0.00 C ATOM 1115 CD1 LEU A 136 1.862 3.005 -0.781 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.057 4.607 0.721 1.00 0.00 C ATOM 0 H LEU A 136 0.985 1.591 2.550 1.00 0.00 H new ATOM 0 HA LEU A 136 1.655 4.220 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.028 3.065 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.495 4.751 1.081 1.00 0.00 H new ATOM 0 HG LEU A 136 2.582 2.579 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.812 2.777 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.223 2.122 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.371 3.821 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.990 4.357 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.595 5.462 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.263 4.856 1.762 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.480 3.412 3.662 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.744 3.880 4.200 1.00 0.00 C ATOM 1130 C GLY A 137 -3.791 4.087 3.124 1.00 0.00 C ATOM 1131 O GLY A 137 -4.609 5.003 3.212 1.00 0.00 O ATOM 0 H GLY A 137 -1.442 2.412 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -3.114 3.159 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.584 4.818 4.732 1.00 0.00 H new ATOM 1135 N MET A 138 -3.766 3.235 2.104 1.00 0.00 N ATOM 1136 CA MET A 138 -4.721 3.330 1.006 1.00 0.00 C ATOM 1137 C MET A 138 -6.135 3.021 1.486 1.00 0.00 C ATOM 1138 O MET A 138 -6.513 1.858 1.624 1.00 0.00 O ATOM 1139 CB MET A 138 -4.331 2.372 -0.121 1.00 0.00 C ATOM 1140 CG MET A 138 -2.980 2.682 -0.744 1.00 0.00 C ATOM 1141 SD MET A 138 -2.713 1.807 -2.297 1.00 0.00 S ATOM 1142 CE MET A 138 -2.917 3.140 -3.476 1.00 0.00 C ATOM 0 H MET A 138 -3.095 2.472 2.015 1.00 0.00 H new ATOM 0 HA MET A 138 -4.701 4.352 0.628 1.00 0.00 H new ATOM 0 HB2 MET A 138 -4.317 1.354 0.268 1.00 0.00 H new ATOM 0 HB3 MET A 138 -5.096 2.407 -0.897 1.00 0.00 H new ATOM 0 HG2 MET A 138 -2.903 3.755 -0.918 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.191 2.416 -0.041 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.373 2.753 -4.387 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.559 3.910 -3.047 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.943 3.569 -3.712 1.00 0.00 H new ATOM 1152 N SER A 139 -6.912 4.069 1.740 1.00 0.00 N ATOM 1153 CA SER A 139 -8.283 3.909 2.210 1.00 0.00 C ATOM 1154 C SER A 139 -9.009 2.833 1.409 1.00 0.00 C ATOM 1155 O SER A 139 -9.360 3.038 0.246 1.00 0.00 O ATOM 1156 CB SER A 139 -9.038 5.235 2.106 1.00 0.00 C ATOM 1157 OG SER A 139 -8.651 6.125 3.139 1.00 0.00 O ATOM 0 H SER A 139 -6.615 5.038 1.628 1.00 0.00 H new ATOM 0 HA SER A 139 -8.249 3.599 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.844 5.692 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 139 -10.111 5.052 2.163 1.00 0.00 H new ATOM 0 HG SER A 139 -9.147 6.966 3.049 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.231 1.683 2.039 1.00 0.00 N ATOM 1164 CA HIS A 140 -9.916 0.573 1.385 1.00 0.00 C ATOM 1165 C HIS A 140 -11.403 0.873 1.222 1.00 0.00 C ATOM 1166 O HIS A 140 -11.994 0.583 0.183 1.00 0.00 O ATOM 1167 CB HIS A 140 -9.729 -0.713 2.190 1.00 0.00 C ATOM 1168 CG HIS A 140 -10.033 -0.558 3.648 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -9.130 -0.045 4.555 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -11.150 -0.850 4.355 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -9.677 -0.030 5.757 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -10.903 -0.513 5.663 1.00 0.00 N ATOM 0 H HIS A 140 -8.947 1.496 3.001 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.479 0.441 0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -10.372 -1.489 1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -8.701 -1.056 2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -12.065 -1.270 3.963 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -9.203 0.318 6.663 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -11.560 -0.618 6.436 1.00 0.00 H new